2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide

C12H17ClN2O3S — CID 62087824

IUPAC2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide
SMILESCOC1CCCC1NS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-18-11-7-3-6-10(11)15-19(16,17)12-8(13)4-2-5-9(12)14/h2,4-5,10-11,15H,3,6-7,14H2,1H3
InChIKeyULNRLVVWUIQKON-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.77
Rot. Bonds4

About 2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide

2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide (PubChem CID 62087824) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide
PubChem CID62087824
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide
SMILESCOC1CCCC1NS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-18-11-7-3-6-10(11)15-19(16,17)12-8(13)4-2-5-9(12)14/h2,4-5,10-11,15H,3,6-7,14H2,1H3
InChIKeyULNRLVVWUIQKON-UHFFFAOYSA-N
XLogP1.77
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide (CID 62087824) is 2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide is COC1CCCC1NS(=O)(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide?
The InChIKey is ULNRLVVWUIQKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-18-11-7-3-6-10(11)15-19(16,17)12-8(13)4-2-5-9(12)14/h2,4-5,10-11,15H,3,6-7,14H2,1H3.
What are the key properties of 2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide?
2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide has a molecular weight of 304.80 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide is sourced from PubChem (CID 62087824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).